BDBM50412212 CHEMBL492829

SMILES: CC(C)COc1ccc(Cl)cc1Cn1nc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C

InChI Key: InChIKey=LUFGUMHRRIOLNQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50412212   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E2 receptor EP1 subtype (EP1) (Homo sapiens (Human))	BDBM50412212 (CHEMBL492829) Show SMILES CC(C)COc1ccc(Cl)cc1Cn1nc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C Show InChI InChI=1S/C28H35ClN4O2/c1-20(2)19-35-26-12-11-25(29)16-24(26)18-33-21(3)15-27(31-33)30-28(34)23-9-7-22(8-10-23)17-32-13-5-4-6-14-32/h7-12,15-16,20H,4-6,13-14,17-19H2,1-3H3,(H,30,31,34)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [H3PGE2 from human EP1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 4027-32 (2008) Article DOI: 10.1016/j.bmcl.2008.05.118 BindingDB Entry DOI: 10.7270/Q2NC62F7
					More data for this Ligand-Target Pair